# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-08T02:40:35+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Chemical Physics') AND volume = 69 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1529517","6.04272","","6.04272","","13.2317","","90","","90","","120","","418.419","","","","","","","","","","","","","4","R 3 :H","R 3","146","","Na (H3 O) (I (O H)3 O3)","","- H6 I Na O7 -","- H4.23 I Na O7 -","- H12.69 I3 Na3 O21 -","3","0.333333","","Abrahams, S.C.; Bernstein, J.L.","Pyroelectric Na (H3 O) (I (O H)3 O3. Room temperature crystal structure","Journal of Chemical Physics","1978","69","","4234","4237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529518","13.1801","","21.7208","","12.1551","","90","","90","","90","","3479.79","","","","","","","","","","","","","4","A b a 2","A 2 -2ab","41","","(La (I O3)3)3 (H I O3) (H2 O)7","","- H15 I10 La3 O37 -","- H15 I10 La3 O37 -","- H60 I40 La12 O148 -","4","","","Abrahams, S.C.; Bernstein, J.L.","Pyroelectric (La (I O3)3)3 (H I O3) (H2 O)7. Crystal structure of the transition metal iodates. V.","Journal of Chemical Physics","1978","69","","2505","2513","","","","","","","","","","","","","","","","","","","","","","has coordinates","153950","2020-10-21","18:00:00",""